BDBM50544753 CHEMBL4642754

SMILES: [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc2-[#6](=[#6]-3-[#6]=[#6]\[#6](-[#6]=[#6]-3-c2c1)=[#7+](\[#6]-[#6])-[#6]-[#6])-c1ccc(cc1S([#8-])(=O)=O)S(=O)(=O)[#7]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1csc(=[#7])n1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cn(-[#6]-c2ccccc2)c[n+]1-[#6])-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1

InChI Key: InChIKey=KEOUZBKPWBFEBX-BNLBYEDMSA-O

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50544753   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Apelin receptor (Homo sapiens (Human))	BDBM50544753 (CHEMBL4642754) Show SMILES [#6]-[#6]-[#7](-[#6]-[#6])-c1ccc2-[#6](=[#6]-3-[#6]=[#6]\[#6](-[#6]=[#6]-3-c2c1)=[#7+](\[#6]-[#6])-[#6]-[#6])-c1ccc(cc1S([#8-])(=O)=O)S(=O)(=O)[#7]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-c1csc(=[#7])n1-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1cn(-[#6]-c2ccccc2)c[n+]1-[#6])-[#6](=O)-[#7]-[#6]-1-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1 |r,c:11,14,t:9| Show InChI InChI=1S/C60H76N12O9S3/c1-8-71(9-2)42-20-23-47-50(31-42)51-32-43(72(10-3)11-4)21-24-48(51)56(47)49-25-22-46(35-54(49)84(79,80)81)83(77,78)66-60(76)62-28-16-15-19-52(64-55(73)34-45-38-82-59(61)69(45)7)57(74)65-53(58(75)63-41-26-29-67(5)30-27-41)33-44-37-70(39-68(44)6)36-40-17-13-12-14-18-40/h12-14,17-18,20-25,31-32,35,37-39,41,52-53,61H,8-11,15-16,19,26-30,33-34,36H2,1-7H3,(H4-2,62,63,64,65,66,73,74,75,76,79,80,81)/p+1/t52-,53-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	89	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RTI International Curated by ChEMBL					Assay Description Displacement of [125I]-apelin-13 from EGFP-fused human APJ receptor delta16 mutant stably expressed in HEK293 cells by FRET assay				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair